Unable to set up and use any force fields

Hi!
I’ve built “universal” package of Avogadro trunk on CentOS 5.4 and int works fine on both CentOS and Debian (haven’t tested other distros yet)
However, I get warning on startup:
Unable to set up and use any force fields
It causes segfault in autoopttool on exit

Regards,
Konstantin

Yes, we have had a lot of problems trying to get Avogadro to work on CentOS
5. The problem is the gcc compiler but if you use the gcc44 compiler it
works. It is available in CentOS repo.

Best, Magnus

On 3 March 2010 14:44, Konstantin Tokarev annulen@yandex.ru wrote:

Hi!
I’ve built “universal” package of Avogadro trunk on CentOS 5.4 and int
works fine on both CentOS and Debian (haven’t tested other distros yet)
However, I get warning on startup:
Unable to set up and use any force fields
It causes segfault in autoopttool on exit

Regards,
Konstantin


Download Intel® Parallel Studio Eval
Try the new software tools for yourself. Speed compiling, find bugs
proactively, and fine-tune applications for parallel performance.
See why Intel Parallel Studio got high marks during beta.
http://p.sf.net/sfu/intel-sw-dev


Avogadro-devel mailing list
Avogadro-devel@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/avogadro-devel

Yes, we have had a lot of problems trying to get Avogadro to work on CentOS 5. The problem is the gcc compiler but if you use the gcc44 compiler it works. It is available in CentOS repo.

If I compile it with 4.4, how to make it work on other systems without gcc4.4 or higher installed?


Regards,
Konstantin

That shouldn’t be a problem because it is only used for compiling. At least
if I understood your question correctly. You want to compile Avogadro on
CentOS 5.4 and then distribute binary to other systems that do not have
gcc44, right?

Best, Magnus

On 3 March 2010 15:56, Konstantin Tokarev annulen@yandex.ru wrote:

Yes, we have had a lot of problems trying to get Avogadro to work on
CentOS 5. The problem is the gcc compiler but if you use the gcc44 compiler
it works. It is available in CentOS repo.

If I compile it with 4.4, how to make it work on other systems without
gcc4.4 or higher installed?


Regards,
Konstantin

That shouldn’t be a problem because it is only used for compiling. At least if I understood your question correctly. You want to compile Avogadro on CentOS 5.4 and then distribute binary to other systems that do not have gcc44, right?

Yes. My thought was that if binary will run on CentOS and linked properly, it will run on many distributions, both enterprise and modern
In the Internets I’ve found this linking magic:

/usr/lib/gcc-lib/i386-redhat-linux/2.96/collect2 -m elf_i386
-dynamic-linker /lib/ld-linux.so.2
-o hello
/usr/lib/gcc-lib/i386-redhat-linux/2.96/…/…/…/crt1.o
/usr/lib/gcc-lib/i386-redhat-linux/2.96/…/…/…/crti.o
/usr/lib/gcc-lib/i386-redhat-linux/2.96/crtbegin.o
-L/usr/lib/gcc-lib/i386-redhat-linux/2.96
-L/usr/lib/gcc-lib/i386-redhat-linux/2.96/…/…/…
hello.o
-Bstatic -lstdc++ -Bdynamic -lm -lgcc -lc -lgcc
/usr/lib/gcc-lib/i386-redhat-linux/2.96/crtend.o
/usr/lib/gcc-lib/i386-redhat-linux/2.96/…/…/…/crtn.o

I’d like to hope it will help with gcc4.4 (compiler libraries are linked statically). Any other ideas?


Regards,
Konstantin

Yes, we have had a lot of problems trying to get Avogadro to work on CentOS 5. The problem is the gcc compiler but if you use the gcc44 compiler it works. It is available in CentOS repo.

It seems that gcc44 doesn’t change anything
Everything was fine (as it was with 4.1), with exception of forcefields

Best, Magnus

On 3 March 2010 14:44, Konstantin Tokarev annulen@yandex.ru wrote:

Hi!
I’ve built “universal” package of Avogadro trunk on CentOS 5.4 and int works fine on both CentOS and Debian (haven’t tested other distros yet)
However, I get warning on startup:
Unable to set up and use any force fields
It causes segfault in autoopttool on exit

Regards,
Konstantin


Download Intel® Parallel Studio Eval
Try the new software tools for yourself. Speed compiling, find bugs
proactively, and fine-tune applications for parallel performance.
See why Intel Parallel Studio got high marks during beta.
http://p.sf.net/sfu/intel-sw-dev


Avogadro-devel mailing list
Avogadro-devel@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/avogadro-devel


Regards,
Konstantin

Яндекс.Почта. Письма есть. Спама - нет. http://mail.yandex.ru/nospam/sign

I used the normal compiler for all the dependencies and then only used gcc44
for Avogadro.

Best, Magnus
On 3 March 2010 18:57, Konstantin Tokarev annulen@yandex.ru wrote:

Yes, we have had a lot of problems trying to get Avogadro to work on
CentOS 5. The problem is the gcc compiler but if you use the gcc44 compiler
it works. It is available in CentOS repo.

It seems that gcc44 doesn’t change anything
Everything was fine (as it was with 4.1), with exception of forcefields

Best, Magnus

On 3 March 2010 14:44, Konstantin Tokarev annulen@yandex.ru wrote:

Hi!
I’ve built “universal” package of Avogadro trunk on CentOS 5.4 and int
works fine on both CentOS and Debian (haven’t tested other distros yet)

However, I get warning on startup:
Unable to set up and use any force fields
It causes segfault in autoopttool on exit

Regards,
Konstantin


Download Intel® Parallel Studio Eval
Try the new software tools for yourself. Speed compiling, find bugs
proactively, and fine-tune applications for parallel performance.
See why Intel Parallel Studio got high marks during beta.
http://p.sf.net/sfu/intel-sw-dev


Avogadro-devel mailing list
Avogadro-devel@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/avogadro-devel


Regards,
Konstantin

Яндекс.Почта. Письма есть. Спама - нет. http://mail.yandex.ru/nospam/sign